SpectraBase Spectrum ID |
Gk26xoxayVy |
Name |
5,10-Epoxy-5H-dibenzo[A,D]cycloheptene, 10,11-dihydro-5,10-diphenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
360.151415263 u |
Formula |
C27H20O |
InChI |
InChI=1S/C27H20O/c1-3-12-21(13-4-1)26-19-20-11-7-8-16-23(20)27(28-26,22-14-5-2-6-15-22)25-18-10-9-17-24(25)26/h1-18H,19H2/t26-,27-/m1/s1 |
InChIKey |
MLRIABKOIXRZJP-KAYWLYCHSA-N |
Molecular Weight |
360.456 g/mol |
SMILES |
[C@@]12(O[C@](C3=CC=CC=C3)(C=3C1=CC=CC3)CC=1C2=CC=CC1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953381 |